%chk=000043216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043216

0 1
 O   0.2687000     -0.2423000       1.309700    
 O   -1.768400      -1.609400       2.618500    
 N   -2.829000      0.6343000     -0.1296000    
 C   -2.028400     -0.3455000       2.001000    
 C   -2.570000     -0.6037000      0.5930000    
 C   -3.289200      0.3601000      -1.484100    
 C  -0.7409000      0.4755000       2.012600    
 C    1.824700      2.2100000E-02 -0.4943000    
 C    1.465200      -1.315400      -1.051700    
 C    1.214800      0.5042000      0.6597000    
 C   -2.238100     -0.4402000      -2.248100    
 C   -3.597400       1.675800      -2.191800    
 C    2.342200      -2.436900     -0.4793000    
 C    2.786800      0.7954000      -1.144000    
 C    1.557400       1.752600       1.170300    
 C    1.948200      -3.800000      -1.025700    
 C    3.134100       2.047400     -0.6365000    
 C    2.519300       2.526100      0.5205000    
 H   -2.784400      0.1688000       2.606400    
 H   -1.840500      -1.244000      8.8500001E-02
 H   -3.490200      -1.197400      0.6717000    
 H   -4.220100     -0.2205000      -1.451100    
 H   -3.524300       1.186000      0.3719000    
 H  -0.4026000      0.6019000       3.048000    
 H  -0.9469000       1.460300       1.576200    
 H   0.4085000      -1.536700     -0.8613000    
 H    1.560200      -1.296500      -2.145500    
 H   -2.480400     -0.4583000      -3.317400    
 H   -1.240800      3.8999999E-03  -2.153200    
 H   -2.191900      -1.487200      -1.933700    
 H   -4.365600       2.242600      -1.654000    
 H   -3.971300       1.493000      -3.205100    
 H   -2.705000       2.306900      -2.272000    
 H    2.261800      -2.455400      0.6145000    
 H    3.396200      -2.246100     -0.7155000    
 H    3.275300      0.4339000      -2.044900    
 H    1.131200       2.150300       2.086200    
 H   -2.607100      -2.100900       2.643700    
 H   0.9105000      -4.038400     -0.7717000    
 H    2.051300      -3.829700      -2.115100    
 H    2.589900      -4.578800     -0.6018000    
 H    3.884800       2.648800      -1.140900    
 H    2.796000       3.497600      0.9195000    


%chk=000043216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043216

0 1
O 0.186683 -0.030298 0.585514
O -1.297075 -1.554109 2.563852
N -3.293926 0.331515 -0.041001
C -1.851665 -0.390549 1.851520
C -2.581895 -0.813024 0.554611
C -3.493458 0.310480 -1.518035
C -0.692011 0.569204 1.596833
C 2.227984 -0.048110 -0.657740
C 1.849328 -1.423581 -1.179890
C 1.377326 0.640107 0.259418
C -2.177969 0.663602 -2.246489
C -4.609567 1.311771 -1.878944
C 2.014890 -2.547991 -0.118175
C 3.434442 0.583456 -1.033737
C 1.731583 1.908861 0.777296
C 1.606469 -3.930924 -0.668176
C 3.806021 1.851382 -0.523755
C 2.949631 2.509936 0.383109
H -2.575264 0.143075 2.511155
H -1.824634 -1.183757 -0.155103
H -3.258559 -1.674057 0.793521
H -3.818804 -0.704966 -1.857581
H -4.170289 0.542911 0.453759
H -0.131440 0.727153 2.539161
H -1.099570 1.529465 1.224496
H 0.792373 -1.422645 -1.513461
H 2.471065 -1.665919 -2.064286
H -2.299736 0.560034 -3.340890
H -1.887996 1.704509 -2.015645
H -1.346363 0.009422 -1.929721
H -5.574668 1.027853 -1.415834
H -4.758046 1.351879 -2.972214
H -4.338792 2.324975 -1.528124
H 1.397456 -2.296424 0.763653
H 3.069712 -2.573060 0.219345
H 4.095504 0.066466 -1.740459
H 1.073276 2.432477 1.476454
H -1.972135 -2.279845 2.568527
H 0.543653 -3.934546 -0.977830
H 2.213930 -4.209655 -1.550844
H 1.737384 -4.720060 0.095102
H 4.748720 2.315304 -0.832888
H 3.221029 3.491884 0.787095


